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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36637100
36637100
36637101
36637101

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-[1,2,4]triazolo[3,4-f]pyridazin-6-amine 3-isopropyl-N-[[(2S)-tetrahydrof…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 5.71 -13.26 1 6 0 64 261.329 4 ↓

Analogs

36637100
36637100
36637101
36637101

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-[1,2,4]triazolo[3,4-f]pyridazin-6-amine 3-isopropyl-N-[[(2R)-tetrahydrof…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 5.74 -13.23 1 6 0 64 261.329 4 ↓

Analogs

32104533
32104533
32104535
32104535
32071088
32071088

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]methanes N-[2-[6-[[(2S)-tetrahydrofuran-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.06 1.65 -19.43 2 9 0 111 340.409 7 ↓

Analogs

32104533
32104533
32104535
32104535
32071088
32071088

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]methanes N-[2-[6-[[(2R)-tetrahydrofuran-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.06 1.69 -18.98 2 9 0 111 340.409 7 ↓

Analogs

32104533
32104533
32104535
32104535

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]ethanesu N-[2-[6-[[(2S)-tetrahydrofuran-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 2.53 -18.86 2 9 0 111 354.436 8 ↓

Analogs

32104533
32104533
32104535
32104535

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]ethanesu N-[2-[6-[[(2R)-tetrahydrofuran-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 2.57 -18.39 2 9 0 111 354.436 8 ↓

Parameters Provided:

ring.id = 12256
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 12256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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